tert-butyl-[(E,2S,3R,4S)-6-iodo-2,4-dimethyl-1-phenylmethoxy-6-trimethylsilylhex-5-en-3-yl]oxy-dimethylsilane

C24H43IO2Si2 — CID 11353310

IUPACtert-butyl-[(E,2S,3R,4S)-6-iodo-2,4-dimethyl-1-phenylmethoxy-6-trimethylsilylhex-5-en-3-yl]oxy-dimethylsilane
SMILESC[C@@H](/C=C(/I)[Si](C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)COCc1ccccc1
InChIInChI=1S/C24H43IO2Si2/c1-19(16-22(25)28(6,7)8)23(27-29(9,10)24(3,4)5)20(2)17-26-18-21-14-12-11-13-15-21/h11-16,19-20,23H,17-18H2,1-10H3/b22-16-/t19-,20-,23+/m0/s1
InChIKeyLRCWPNQSTVVTIW-IUYNOFEFSA-N
MW546.68 g/mol
LogP8.06
Rot. Bonds10

About tert-butyl-[(E,2S,3R,4S)-6-iodo-2,4-dimethyl-1-phenylmethoxy-6-trimethylsilylhex-5-en-3-yl]oxy-dimethylsilane

tert-butyl-[(E,2S,3R,4S)-6-iodo-2,4-dimethyl-1-phenylmethoxy-6-trimethylsilylhex-5-en-3-yl]oxy-dimethylsilane (PubChem CID 11353310) has the molecular formula C24H43IO2Si2 and a molecular weight of 546.68 g/mol. Its IUPAC name is tert-butyl-[(E,2S,3R,4S)-6-iodo-2,4-dimethyl-1-phenylmethoxy-6-trimethylsilylhex-5-en-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E,2S,3R,4S)-6-iodo-2,4-dimethyl-1-phenylmethoxy-6-trimethylsilylhex-5-en-3-yl]oxy-dimethylsilane
PubChem CID11353310
Molecular FormulaC24H43IO2Si2
Molecular Weight546.68 g/mol
Exact Mass546.18
IUPAC Nametert-butyl-[(E,2S,3R,4S)-6-iodo-2,4-dimethyl-1-phenylmethoxy-6-trimethylsilylhex-5-en-3-yl]oxy-dimethylsilane
SMILESC[C@@H](/C=C(/I)[Si](C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)COCc1ccccc1
InChIInChI=1S/C24H43IO2Si2/c1-19(16-22(25)28(6,7)8)23(27-29(9,10)24(3,4)5)20(2)17-26-18-21-14-12-11-13-15-21/h11-16,19-20,23H,17-18H2,1-10H3/b22-16-/t19-,20-,23+/m0/s1
InChIKeyLRCWPNQSTVVTIW-IUYNOFEFSA-N
XLogP8.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.68
LogP ≤ 58.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E,2S,3R,4S)-6-iodo-2,4-dimethyl-1-phenylmethoxy-6-trimethylsilylhex-5-en-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(E,2S,3R,4S)-6-iodo-2,4-dimethyl-1-phenylmethoxy-6-trimethylsilylhex-5-en-3-yl]oxy-dimethylsilane (CID 11353310) is tert-butyl-[(E,2S,3R,4S)-6-iodo-2,4-dimethyl-1-phenylmethoxy-6-trimethylsilylhex-5-en-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E,2S,3R,4S)-6-iodo-2,4-dimethyl-1-phenylmethoxy-6-trimethylsilylhex-5-en-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(E,2S,3R,4S)-6-iodo-2,4-dimethyl-1-phenylmethoxy-6-trimethylsilylhex-5-en-3-yl]oxy-dimethylsilane is C[C@@H](/C=C(/I)[Si](C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)COCc1ccccc1.
What is the InChIKey of tert-butyl-[(E,2S,3R,4S)-6-iodo-2,4-dimethyl-1-phenylmethoxy-6-trimethylsilylhex-5-en-3-yl]oxy-dimethylsilane?
The InChIKey is LRCWPNQSTVVTIW-IUYNOFEFSA-N. The full InChI is InChI=1S/C24H43IO2Si2/c1-19(16-22(25)28(6,7)8)23(27-29(9,10)24(3,4)5)20(2)17-26-18-21-14-12-11-13-15-21/h11-16,19-20,23H,17-18H2,1-10H3/b22-16-/t19-,20-,23+/m0/s1.
What are the key properties of tert-butyl-[(E,2S,3R,4S)-6-iodo-2,4-dimethyl-1-phenylmethoxy-6-trimethylsilylhex-5-en-3-yl]oxy-dimethylsilane?
tert-butyl-[(E,2S,3R,4S)-6-iodo-2,4-dimethyl-1-phenylmethoxy-6-trimethylsilylhex-5-en-3-yl]oxy-dimethylsilane has a molecular weight of 546.68 g/mol, XLogP of 8.06, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E,2S,3R,4S)-6-iodo-2,4-dimethyl-1-phenylmethoxy-6-trimethylsilylhex-5-en-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 11353310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).